>compound Methyl Jasmonate_Methyl Jasmonate
#instrument UPLC Q-Tof Premier, Waters
>formula C13H20O3
#smiles CCC=CC[C@@H](C(=O)1)[C@H](CC1)CC(=O)OC
#RECORD LC-ESI-QTOF_train_data/PR100748.txt;LC-ESI-QTOF_train_data/PR100749.txt
>charge -1
>ionization [M-H]-
>parentmass 223.13344

>collision 5-60
74.9733 132.0
148.9725 111.3
206.9468 37.71
222.973 557.4

>collision 30
75.0096 227.3
133.0103 13.32
134.9907 21.94
149.0448 233.2
151.026 18.85
162.9327 23.28
207.0458 25.2
223.0833 15.37

